%chk=000018847.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018847

0 1
 S  -9.0499997E-02   2.219300       1.486100    
 O   -4.563600     -0.9543000     -0.7751000    
 N   0.2111000     -4.1900001E-02 -0.6260000    
 N    2.575800      -2.391700      0.5831000    
 C   0.4680000      -1.334800      -1.273600    
 C   0.2542000      -2.475900     -0.2774000    
 C   -1.111800      0.2163000     -0.1862000    
 C    1.289700      0.8752000     -0.5487000    
 C    1.164600      -2.376500      0.9486000    
 C   -1.379800       1.232800      0.7519000    
 C    1.259700       1.957100      0.3534000    
 C   -2.220000     -0.5008000     -0.6881000    
 C    2.420300      0.7725000      -1.388500    
 C   -2.694800       1.489500       1.179200    
 C    2.328800       2.868000      0.4209000    
 C   -3.525400     -0.2381000     -0.2638000    
 C   -3.762700      0.7558000      0.6734000    
 C    3.478100       1.683400      -1.320600    
 C    3.417500      -2.215000       1.767800    
 C    2.917800      -3.640300     -0.1007000    
 C    3.433800       2.730300     -0.4126000    
 C   -5.870700     -0.6308000     -0.3031000    
 H  -0.1691000      -1.461600      -2.156900    
 H    1.474800      -1.468700      -1.668200    
 H  -0.7774000      -2.508100      8.7200001E-02
 H   0.3822000      -3.434000     -0.7940000    
 H   0.9303000      -3.209000       1.626100    
 H   0.9293000      -1.460300       1.503500    
 H   -2.105100      -1.274300      -1.442500    
 H    2.509300      2.5699999E-02  -2.170200    
 H   -2.899900       2.266800       1.912800    
 H    2.311300       3.697300       1.125300    
 H   -4.745800       1.014000       1.050700    
 H    4.327900       1.578400      -1.988900    
 H    3.283600      -3.024000       2.495200    
 H    3.189900      -1.263800       2.262100    
 H    4.475600      -2.174200       1.486300    
 H    2.472300      -3.700300      -1.098000    
 H    2.626000      -4.525800      0.4756000    
 H    4.000200      -3.695400     -0.2699000    
 H    4.252300       3.441400     -0.3566000    
 H   -6.151400      0.3947000     -0.5664000    
 H   -5.970600     -0.8258000      0.7700000    
 H   -6.573300      -1.296100     -0.8156000    


%chk=000018847-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018847

0 1
S 0.164019 1.791692 1.916615
O -4.495915 -0.766603 -0.960071
N 0.286254 -0.099640 -0.481546
N 2.597071 -2.761688 0.615660
C 0.560745 -1.386896 -1.166815
C 0.242943 -2.607303 -0.271802
C -1.045360 0.197501 -0.064312
C 1.257286 0.949537 -0.534749
C 1.160066 -2.652904 0.970942
C -1.276973 1.126580 0.992563
C 1.298426 1.947578 0.480001
C -2.166543 -0.396154 -0.691194
C 2.195879 1.046688 -1.598370
C -2.584005 1.460966 1.381319
C 2.233841 2.999668 0.436938
C -3.479917 -0.087291 -0.264263
C -3.705383 0.849076 0.772334
C 3.159516 2.077885 -1.621798
C 3.489511 -2.222681 1.662840
C 2.989794 -4.123409 0.203297
C 3.185127 3.060982 -0.607637
C -5.879511 -0.468651 -0.586593
H 0.022689 -1.456285 -2.135641
H 1.643252 -1.428063 -1.368816
H -0.810976 -2.593084 0.061762
H 0.370107 -3.520955 -0.885180
H 0.835699 -3.490392 1.639553
H 1.019149 -1.713339 1.536570
H -2.051343 -1.096622 -1.521707
H 2.167703 0.320562 -2.415747
H -2.733463 2.190112 2.184576
H 2.225237 3.757964 1.227247
H -4.712578 1.105520 1.110212
H 3.879441 2.119859 -2.446571
H 3.448883 -2.797846 2.622857
H 3.217294 -1.174522 1.877423
H 4.534649 -2.238050 1.303326
H 2.365035 -4.466137 -0.640021
H 2.893972 -4.875283 1.028727
H 4.041290 -4.121061 -0.136426
H 3.925158 3.867441 -0.629459
H -6.119734 0.600340 -0.749291
H -6.078385 -0.735517 0.469906
H -6.497448 -1.092574 -1.249055


